SCHEMBL191238

SCHEMBL191238

COc1cc(Nc2ncc(F)c(Nc3ccc4c(c3)NC(=O)C(C3CC3)O4)n2)cc(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 14/20 0.54
EGFR P00533 5/20 0.54
JAK2 O60674 4/20 0.54
ITK Q08881 3/20 0.54
JAK1 P23458 3/20 0.54
JAK3 P52333 3/20 0.54
ADORA3 P0DMS8 2/20 0.54
TYRO3 Q06418 2/20 0.54
PLK4 O00444 2/20 0.54
AURKA O14965 2/20 0.54
STK16 O75716 2/20 0.54
RET P07949 2/20 0.54
FLT3 P36888 2/20 0.54
MAPK8 P45983 2/20 0.54
MAPK9 P45984 2/20 0.54
MST1R Q04912 2/20 0.54
PTK2 Q05397 2/20 0.54
TNK1 Q13470 2/20 0.54
IKBKE Q14164 2/20 0.54
MAP3K11 Q16584 2/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL190333 0.95 SYK (0.49) SYKEGFRJAK2ITKJAK1
SCHEMBL190375 0.83 SYK (0.70) SYKEGFRJAK2AURKAMAPK8
SCHEMBL190515 0.82 SYK (0.61) SYKEGFRJAK2ITKJAK1
SCHEMBL13007744 0.81 SYK (0.60) SYKEGFRJAK2ITKJAK1
SCHEMBL14837327 0.81 SYK (0.74) SYKEGFRJAK2ITKJAK1
SCHEMBL189926 0.80 SYK (0.46) SYKEGFRJAK2ITKLCK
SCHEMBL2101181 0.79 SYK (0.47) SYKEGFRJAK2ITKJAK1
SCHEMBL2100867 0.79 SYK (0.47) SYKEGFRJAK2ITKJAK1
SCHEMBL19297727 0.79 SYK (0.54) SYKEGFRJAK2ITKJAK1
SCHEMBL2101544 0.78 SYK (0.61) SYKEGFRJAK2ITKJAK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1814878-B1 SPIRO-2, 4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS INC (US) 2012-01-04 EP disclosed
US-7851480-B2 Spiro 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2010-12-14 US disclosed
US-7557207-B2 Spiro 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2009-07-07 US disclosed
US-20090062270-A1 SPIRO 2,4 PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. 2009-03-05 US disclosed
EP-1814878-A1 SPIRO-2, 4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES Rigel Pharmaceuticals, Inc. (US) 2007-08-08 EP disclosed
US-20060167254-A1 Spiro 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2006-07-27 US disclosed
WO-2006068770-A1 SPIRO-2, 4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2006-06-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060167254-A1 Spiro 2,4-pyrimidinediamine compounds and their uses SSB, SPHK2, PKD2 SYK 1386/4885EGFR 4674/4885JAK2 2709/4885
US-20090062270-A1 SPIRO 2,4 PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES SSB, SPHK2, PKD2 SYK 1168/4885EGFR 4643/4885JAK2 2515/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.